==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=19-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER CHEMOTAXIS 09-MAR-93 1WAT . COMPND 2 MOLECULE: ASPARTATE RECEPTOR; . SOURCE 2 ORGANISM_SCIENTIFIC: SALMONELLA TYPHIMURIUM; . AUTHOR S.-H.KIM . 286 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14615.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 254 88.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 7 2.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 4 1.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-1), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+0), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+1), SAME NUMBER PER 100 RESIDUES . 17 5.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 39 13.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 188 65.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 1.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+5), SAME NUMBER PER 100 RESIDUES . 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 *** HISTOGRAMS OF *** . 0 0 0 2 1 1 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 3 0 1 1 0 0 0 1 RESIDUES PER ALPHA HELIX . 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 PARALLEL BRIDGES PER LADDER . 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 LADDERS PER SHEET . # RESIDUE AA STRUCTURE BP1 BP2 ACC N-H-->O O-->H-N N-H-->O O-->H-N TCO KAPPA ALPHA PHI PSI X-CA Y-CA Z-CA 1 39 A G 0 0 91 0, 0.0 3,-0.1 0, 0.0 6,-0.0 0.000 360.0 360.0 360.0 -82.0 227.9 242.7 65.2 2 40 A F - 0 0 47 1,-0.2 5,-0.2 284,-0.0 3,-0.0 -0.232 360.0 -71.7 -75.9 178.9 225.7 242.1 62.2 3 41 A V S >> S- 0 0 89 3,-0.1 4,-2.6 2,-0.1 3,-0.7 0.496 85.2 -24.6 -65.7-157.6 227.2 243.9 59.2 4 42 A I E 34 S+a 7 0A 83 2,-0.2 2,-2.5 1,-0.2 4,-0.3 0.038 127.3 31.5 -47.0 163.3 227.3 247.7 58.6 5 43 A S E 3> S+a 8 0A 64 2,-1.0 4,-1.7 1,-0.3 3,-0.5 -0.281 118.8 58.5 72.0 -41.8 224.7 250.0 60.2 6 44 A N H <> S+ 0 0 43 -2,-2.5 4,-1.0 -3,-0.7 2,-0.9 0.961 118.1 34.4 -69.5 -50.5 224.7 247.5 63.2 7 45 A E H < S+a 10 0A 60 -4,-2.6 -2,-1.0 -5,-0.2 -1,-0.4 -0.926 121.3 49.4-103.9 92.9 228.3 248.4 63.1 8 46 A L H 4>S+a 5 0A 39 2,-1.0 5,-2.1 -2,-0.9 3,-0.3 -0.161 103.0 54.8 171.0 -28.2 227.8 252.1 62.1 9 47 A R H <>S+ 0 0 105 -4,-1.7 2,-1.3 1,-0.5 5,-0.9 0.883 116.0 43.8 -80.1 -61.5 225.1 253.2 64.5 10 48 A Q E <5S+a 7 0A 87 -4,-1.0 -2,-1.0 -5,-0.4 -1,-0.5 -0.759 127.5 32.9 -78.3 96.5 227.7 252.0 67.1 11 49 A Q T >>5S+ 0 0 3 -2,-1.3 4,-1.4 -3,-0.3 3,-1.0 -0.935 134.7 15.3 143.4-108.6 230.4 253.7 65.0 12 50 A Q H 3>5S+ 0 0 24 -2,-0.3 4,-1.8 1,-0.3 -3,-0.2 0.878 131.8 44.6 -71.7 -32.1 229.1 257.0 63.3 13 51 A S H 34 S+ 0 0 40 -3,-0.8 4,-1.4 2,-0.2 3,-0.5 0.990 98.3 46.9 -61.2 -65.8 228.3 260.8 71.0 18 56 A T H 3X S+ 0 0 2 -4,-0.9 4,-2.6 -3,-0.4 3,-0.3 0.933 106.3 57.7 -46.6 -47.4 231.6 262.8 70.9 19 57 A W H 3X S+ 0 0 32 -4,-1.3 4,-2.2 1,-0.2 -1,-0.2 0.824 106.9 48.0 -57.7 -39.2 230.1 265.9 69.2 20 58 A D H X S+ 0 0 16 -4,-2.9 4,-2.3 1,-0.2 3,-0.7 0.922 108.9 50.9 -67.1 -42.5 230.1 274.3 80.8 29 67 A L H 3X S+ 0 0 0 -4,-2.7 4,-2.7 1,-0.2 -1,-0.2 0.942 111.5 45.5 -59.1 -49.7 233.2 276.4 80.1 30 68 A S H 3< S+ 0 0 9 -4,-2.1 4,-0.3 2,-0.2 -1,-0.2 0.433 110.4 53.6 -80.6 5.5 231.2 279.7 79.4 31 69 A R H X S+ 0 0 0 -4,-2.3 4,-1.8 -5,-0.2 3,-0.8 0.922 111.7 48.8 -53.0 -48.6 232.4 278.7 84.5 33 71 A A H 3X S+ 0 0 0 -4,-2.7 4,-1.0 2,-0.2 -1,-0.2 0.818 106.6 56.7 -67.7 -32.6 234.1 281.8 82.9 34 72 A A H 34 S+ 0 0 0 -4,-0.3 -1,-0.2 -3,-0.3 -2,-0.2 0.810 109.8 46.9 -70.5 -28.5 230.9 284.1 83.6 35 73 A R H XX S+ 0 0 5 -4,-1.1 3,-2.9 -3,-0.8 4,-1.0 0.908 100.1 65.3 -85.5 -27.4 231.2 283.2 87.3 36 74 A M H 3< S+ 0 0 38 -4,-1.8 3,-0.4 1,-0.3 -2,-0.2 0.817 98.0 56.7 -64.3 -20.9 234.9 283.9 87.2 37 75 A M T 3< S+ 0 0 23 -4,-1.0 147,-2.0 1,-0.2 -1,-0.3 0.411 102.2 55.7 -84.6 -5.1 233.8 287.6 86.5 38 76 A M T X4 S+ 0 0 27 -3,-2.9 3,-1.5 145,-0.1 -1,-0.2 0.631 79.6 98.0 -92.1 -33.6 231.8 287.5 89.8 39 77 A D T 3< + 0 0 109 -4,-1.0 -2,-0.1 -3,-0.4 -1,-0.1 0.393 61.6 76.6 -27.9 -34.9 234.9 286.4 91.8 40 78 A A T 3 S+ 0 0 74 -3,-0.1 2,-0.3 -4,-0.1 -1,-0.3 0.496 115.6 12.8 -56.0 -16.2 235.6 290.0 93.1 41 79 A S S < S- 0 0 86 -3,-1.5 2,-0.4 2,-0.0 4,-0.1 -0.958 84.5-117.9-153.2 155.7 232.7 289.3 95.4 42 80 A N + 0 0 127 -2,-0.3 2,-0.1 2,-0.1 -3,-0.1 -0.881 55.6 122.5-112.7 137.6 230.8 286.2 96.4 43 81 A Q S S- 0 0 155 -2,-0.4 2,-0.1 0, 0.0 -2,-0.0 -0.327 106.4 -27.2-173.8 93.6 227.0 285.6 95.8 44 82 A Q S > S+ 0 0 77 1,-0.1 3,-2.0 -2,-0.1 4,-0.2 0.182 103.5 119.0 69.9 -10.9 226.9 282.2 93.6 45 83 A S G > + 0 0 5 1,-0.3 3,-1.4 -7,-0.2 -6,-0.2 0.831 59.2 82.1 -45.5 -31.2 230.4 282.9 92.2 46 84 A S G > + 0 0 57 1,-0.2 3,-1.2 2,-0.1 4,-0.5 0.650 69.6 69.3 -45.2 -44.2 231.1 279.7 93.9 47 85 A A G <> S+ 0 0 22 -3,-2.0 4,-2.4 1,-0.2 -1,-0.2 0.681 78.6 87.0 -60.2 -17.5 229.8 277.1 91.2 48 86 A K H <> S+ 0 0 45 -3,-1.4 4,-2.5 -4,-0.2 -1,-0.2 0.772 83.3 51.7 -42.9 -51.5 232.7 278.0 88.9 49 87 A T H <> S+ 0 0 95 -3,-1.2 4,-2.1 2,-0.2 3,-0.4 0.995 111.0 46.7 -51.7 -57.0 235.1 275.5 90.4 50 88 A D H > S+ 0 0 81 -4,-0.5 4,-2.9 1,-0.3 -2,-0.2 0.870 110.1 51.6 -63.1 -47.6 232.8 272.6 90.0 51 89 A L H X S+ 0 0 26 -4,-2.4 4,-0.7 1,-0.2 -1,-0.3 0.885 108.6 53.1 -57.5 -34.3 231.8 273.5 86.4 52 90 A L H X S+ 0 0 14 -4,-2.5 4,-1.9 -3,-0.4 3,-0.5 0.931 111.8 43.2 -69.6 -35.2 235.5 273.7 85.4 53 91 A Q H X S+ 0 0 97 -4,-2.1 4,-1.6 1,-0.3 3,-0.2 0.974 117.7 46.6 -73.0 -44.4 236.4 270.2 86.8 54 92 A N H X S+ 0 0 88 -4,-2.9 4,-0.7 -5,-0.3 -1,-0.3 0.497 107.4 57.4 -83.8 -1.7 233.2 268.9 85.3 55 93 A A H X S+ 0 0 0 -4,-0.7 4,-2.0 -3,-0.5 -1,-0.3 0.718 104.2 54.4 -80.8 -41.1 234.0 270.7 81.9 56 94 A K H X S+ 0 0 70 -4,-1.9 4,-1.1 -5,-0.2 -2,-0.2 0.930 106.0 52.2 -63.1 -36.8 237.3 268.7 81.9 57 95 A T H X S+ 0 0 52 -4,-1.6 4,-2.8 2,-0.2 5,-0.2 0.867 105.2 52.8 -72.1 -36.1 235.4 265.4 82.3 58 96 A T H X S+ 0 0 11 -4,-0.7 4,-2.6 1,-0.2 -1,-0.2 0.969 108.0 50.1 -68.7 -32.2 233.0 266.0 79.4 59 97 A L H X S+ 0 0 14 -4,-2.0 4,-1.6 1,-0.2 -1,-0.2 0.792 113.1 50.5 -71.5 -21.8 236.0 266.7 77.1 60 98 A A H X S+ 0 0 52 -4,-1.1 4,-2.5 -3,-0.2 5,-0.2 0.942 108.7 48.7 -63.9 -51.9 237.3 263.3 78.6 61 99 A Q H X S+ 0 0 82 -4,-2.8 4,-2.7 1,-0.2 -2,-0.2 0.867 108.1 54.9 -58.5 -38.9 234.2 261.4 77.9 62 100 A A H X S+ 0 0 0 -4,-2.6 4,-3.1 -5,-0.2 5,-0.3 0.966 108.6 51.0 -57.9 -59.2 234.2 262.8 74.4 63 101 A A H X S+ 0 0 35 -4,-1.6 4,-2.1 1,-0.3 -2,-0.2 0.876 112.5 42.7 -48.5 -52.2 237.8 261.4 74.0 64 102 A A H X S+ 0 0 64 -4,-2.5 4,-1.2 2,-0.2 -1,-0.3 0.912 113.1 52.2 -61.8 -42.3 237.0 257.9 75.2 65 103 A H H >X S+ 0 0 65 -4,-2.7 4,-1.5 -5,-0.2 3,-1.3 0.977 111.5 48.8 -64.5 -39.4 233.8 257.8 73.2 66 104 A Y H 3X S+ 0 0 13 -4,-3.1 4,-2.1 1,-0.3 -1,-0.2 0.847 101.0 65.8 -58.5 -41.8 236.0 258.9 70.1 67 105 A A H 3X S+ 0 0 39 -4,-2.1 4,-2.7 -5,-0.3 -1,-0.3 0.825 100.5 48.6 -59.9 -30.7 238.3 256.1 71.1 68 106 A N H << S+ 0 0 51 -3,-1.3 5,-0.3 -4,-1.2 -2,-0.2 0.956 107.5 52.9 -70.8 -50.6 235.6 253.5 70.3 69 107 A F H < S+ 0 0 2 -4,-1.5 3,-0.4 1,-0.2 -2,-0.2 0.826 117.7 41.2 -49.4 -40.9 234.8 255.1 66.8 70 108 A K H >< S+ 0 0 102 -4,-2.1 3,-2.8 1,-0.2 2,-2.4 0.972 114.9 49.6 -61.4 -65.3 238.7 254.7 66.3 71 109 A N T 3< S+ 0 0 133 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.1 -0.264 115.1 47.9 -71.4 55.3 238.8 251.2 67.9 72 110 A M T 3 S+ 0 0 25 -2,-2.4 -1,-0.3 -3,-0.4 -2,-0.2 0.067 87.4 94.7-176.8 -25.7 235.9 250.2 65.6 73 111 A T < + 0 0 43 -3,-2.8 -1,-0.4 -5,-0.3 -62,-0.0 -0.969 22.7 132.6 -94.9 101.0 237.3 251.5 62.4 74 112 A P + 0 0 128 0, 0.0 -1,-0.1 0, 0.0 -3,-0.0 -0.746 65.3 86.6-101.4 91.0 238.9 248.7 60.8 75 113 A L + 0 0 76 -2,-0.0 2,-0.3 2,-0.0 -2,-0.1 0.393 39.3 149.9-137.1 -69.8 236.9 250.1 57.9 76 114 A P + 0 0 68 0, 0.0 2,-2.6 0, 0.0 6,-0.0 -0.542 20.7 131.1 25.8-104.6 237.9 252.9 55.5 77 115 A A S S+ 0 0 80 -2,-0.3 3,-0.1 1,-0.2 -2,-0.0 -0.406 91.9 48.8 62.9 -69.8 236.5 252.7 51.8 78 116 A M S >> S+ 0 0 23 -2,-2.6 3,-1.3 1,-0.2 4,-0.7 0.697 97.2 155.1 -64.0 -19.9 235.6 256.3 52.2 79 117 A A T 34 + 0 0 46 1,-0.2 4,-0.4 2,-0.2 3,-0.3 0.194 54.4 8.9 40.4-125.8 239.1 256.6 53.4 80 118 A E T 3> S+ 0 0 162 1,-0.2 4,-1.0 2,-0.2 -1,-0.2 0.698 119.6 69.1 -67.3 -16.4 241.2 259.9 53.2 81 119 A A T X4 S+ 0 0 63 -3,-1.3 3,-0.9 1,-0.2 -1,-0.2 0.991 113.8 27.8 -58.2 -59.8 238.1 261.8 52.3 82 120 A S T 3X S+ 0 0 4 -4,-0.7 4,-1.0 -3,-0.3 -1,-0.2 0.265 100.7 87.1 -90.3 12.7 236.7 261.3 55.8 83 121 A A H 3> S+ 0 0 24 -4,-0.4 4,-2.4 -5,-0.2 3,-0.4 0.887 83.5 61.2 -74.5 -31.2 240.3 261.0 57.2 84 122 A N H S+ 0 0 4 -4,-0.2 4,-1.1 41,-0.2 -1,-0.2 0.891 109.0 46.6 -55.7 -40.0 236.8 264.0 59.9 86 124 A D H X S+ 0 0 42 -4,-1.0 4,-1.2 -3,-0.4 3,-0.4 0.969 114.7 45.5 -75.4 -39.9 239.3 262.2 62.0 87 125 A E H X S+ 0 0 110 -4,-2.4 4,-1.5 1,-0.2 -2,-0.2 0.868 109.2 50.8 -66.0 -40.5 242.0 264.9 61.9 88 126 A K H X S+ 0 0 35 -4,-3.2 4,-2.2 -5,-0.2 5,-0.3 0.885 99.5 68.9 -75.4 -16.2 239.9 267.9 62.6 89 127 A Y H X S+ 0 0 10 -4,-1.1 4,-2.7 -3,-0.4 -1,-0.2 0.959 103.3 45.4 -50.7 -54.6 238.5 266.0 65.7 90 128 A Q H X S+ 0 0 82 -4,-1.2 4,-2.0 1,-0.2 -1,-0.2 0.831 106.6 58.9 -55.6 -43.1 241.9 266.4 67.1 91 129 A R H X S+ 0 0 101 -4,-1.5 4,-2.2 1,-0.2 -1,-0.2 0.933 112.4 38.1 -57.3 -51.4 242.1 270.1 66.1 92 130 A Y H X S+ 0 0 0 -4,-2.2 4,-2.6 27,-0.3 5,-0.3 0.944 111.6 59.1 -69.8 -37.8 238.9 271.0 68.2 93 131 A Q H X S+ 0 0 51 -4,-2.7 4,-1.9 -5,-0.3 -1,-0.2 0.915 107.4 47.2 -49.1 -46.4 239.8 268.7 71.0 94 132 A A H X S+ 0 0 59 -4,-2.0 4,-2.6 2,-0.2 5,-0.2 0.959 109.5 53.2 -62.3 -47.5 242.9 270.7 71.3 95 133 A A H X S+ 0 0 9 -4,-2.2 4,-2.3 1,-0.2 -2,-0.2 0.933 111.0 45.7 -53.5 -52.9 241.1 274.1 71.2 96 134 A L H X S+ 0 0 0 -4,-2.6 4,-1.2 2,-0.2 -1,-0.2 0.869 111.8 53.8 -61.3 -40.1 238.7 273.2 74.0 97 135 A A H X S+ 0 0 41 -4,-1.9 4,-2.5 -5,-0.3 -2,-0.2 0.882 108.0 47.5 -69.0 -36.0 241.6 271.8 76.0 98 136 A E H X S+ 0 0 97 -4,-2.6 4,-2.9 1,-0.3 5,-0.3 0.927 107.8 58.8 -68.7 -38.1 243.6 275.1 75.7 99 137 A L H X S+ 0 0 6 -4,-2.3 4,-1.6 -5,-0.2 -1,-0.3 0.823 105.6 49.0 -63.0 -31.8 240.3 276.8 76.7 100 138 A I H X S+ 0 0 18 -4,-1.2 4,-3.2 -5,-0.2 3,-0.5 0.994 112.3 46.4 -69.3 -56.3 240.5 274.7 79.9 101 139 A Q H X S+ 0 0 113 -4,-2.5 4,-2.1 1,-0.3 6,-0.2 0.824 113.8 49.7 -48.0 -62.8 244.2 275.6 80.6 102 140 A F H X>S+ 0 0 28 -4,-2.9 5,-2.3 2,-0.2 4,-1.7 0.867 118.0 37.9 -38.3 -57.0 243.5 279.3 79.9 103 141 A L H ><5S+ 0 0 4 -4,-1.6 3,-0.6 -3,-0.5 -2,-0.2 0.975 116.5 51.9 -64.2 -46.4 240.5 279.4 82.2 104 142 A D H 3<5S+ 0 0 86 -4,-3.2 -1,-0.2 1,-0.3 -2,-0.2 0.665 116.2 44.0 -51.3 -35.4 242.1 277.1 84.7 105 143 A N H 3<5S- 0 0 110 -4,-2.1 -1,-0.3 -5,-0.4 -2,-0.2 0.667 118.3-103.2 -90.9 -30.7 245.0 279.4 84.6 106 144 A G T <<5S+ 0 0 54 -4,-1.7 2,-1.3 -3,-0.6 -3,-0.2 0.382 74.6 134.0 119.2 -6.7 243.4 282.9 84.7 107 145 A N < + 0 0 68 -5,-2.3 -1,-0.3 -6,-0.2 4,-0.3 -0.740 15.1 158.2 -82.1 99.2 243.8 283.8 81.2 108 146 A M > + 0 0 42 -2,-1.3 4,-2.8 2,-0.1 5,-0.2 0.851 63.4 62.4 -85.0 -44.9 240.5 285.2 80.3 109 147 A D H > S+ 0 0 146 1,-0.3 4,-1.5 2,-0.2 -2,-0.1 0.803 110.5 40.5 -62.9 -28.5 241.5 287.4 77.1 110 148 A A H > S+ 0 0 26 2,-0.2 4,-2.1 3,-0.2 -1,-0.3 0.834 112.0 58.5 -85.4 -29.8 242.7 284.4 75.2 111 149 A Y H 4 S+ 0 0 14 -4,-0.3 -2,-0.2 1,-0.2 -1,-0.2 0.933 114.0 37.6 -52.3 -58.0 239.7 282.4 76.5 112 150 A F H < S+ 0 0 32 -4,-2.8 -1,-0.2 1,-0.2 -2,-0.2 0.814 123.6 39.6 -66.3 -35.8 237.5 284.9 75.0 113 151 A A H < S+ 0 0 80 -4,-1.5 -2,-0.2 -5,-0.2 -3,-0.2 0.479 81.2 108.3 -96.6 -3.3 239.5 285.6 71.7 114 152 A Q S < S- 0 0 24 -4,-2.1 2,-2.2 1,-0.1 3,-0.2 -0.612 79.3-124.6 -75.5 127.0 240.6 282.1 70.9 115 153 A P >> + 0 0 92 0, 0.0 3,-1.9 0, 0.0 4,-0.7 -0.182 48.2 158.6 -83.8 55.6 238.3 281.4 67.8 116 154 A T H 3> + 0 0 10 -2,-2.2 4,-1.9 1,-0.3 5,-0.2 0.740 63.1 68.8 -50.8 -32.7 236.6 278.2 69.0 117 155 A Q H 3> S+ 0 0 48 1,-0.2 4,-3.4 -3,-0.2 -1,-0.3 0.924 99.0 54.6 -60.4 -31.3 233.6 278.4 66.7 118 156 A G H <> S+ 0 0 34 -3,-1.9 4,-2.8 1,-0.3 -1,-0.2 0.911 107.2 44.0 -75.8 -46.2 236.0 277.7 63.8 119 157 A M H X S+ 0 0 46 -4,-0.7 4,-1.3 2,-0.2 -27,-0.3 0.845 120.6 48.0 -60.6 -35.9 237.6 274.4 65.0 120 158 A Q H X S+ 0 0 1 -4,-1.9 4,-2.0 -3,-0.2 -2,-0.2 0.868 109.6 49.8 -59.9 -61.3 233.9 273.5 65.9 121 159 A N H X S+ 0 0 76 -4,-3.4 4,-2.7 2,-0.2 -2,-0.2 0.886 106.6 55.5 -49.5 -52.1 232.5 274.5 62.6 122 160 A A H X S+ 0 0 3 -4,-2.8 4,-2.3 1,-0.2 -1,-0.2 0.924 109.5 47.8 -50.0 -44.2 235.2 272.4 60.8 123 161 A L H X S+ 0 0 3 -4,-1.3 4,-2.6 2,-0.2 5,-0.5 0.787 108.1 53.6 -77.5 -24.0 234.0 269.3 62.7 124 162 A G H X S+ 0 0 26 -4,-2.0 4,-2.7 2,-0.2 -2,-0.2 0.997 113.5 43.7 -61.4 -55.0 230.4 270.0 62.0 125 163 A E H < S+ 0 0 120 -4,-2.7 -2,-0.2 2,-0.2 -1,-0.2 0.780 114.6 51.9 -50.8 -41.3 231.4 270.1 58.4 126 164 A A H >X S+ 0 0 0 -4,-2.3 4,-1.6 2,-0.2 3,-1.1 0.921 115.9 35.0 -74.2 -45.2 233.6 267.0 58.8 127 165 A L H 3X S+ 0 0 19 -4,-2.6 4,-2.2 1,-0.3 5,-0.2 0.874 115.8 60.5 -76.3 -34.2 231.2 264.6 60.4 128 166 A G H 3< S+ 0 0 50 -4,-2.7 4,-0.3 -5,-0.5 -1,-0.3 0.545 104.4 48.1 -61.7 -12.0 228.6 266.3 58.2 129 167 A N H <> S+ 0 0 45 -3,-1.1 4,-2.2 -5,-0.2 5,-0.2 0.815 109.0 54.9 -85.8 -52.4 230.6 265.2 55.2 130 168 A Y H X S+ 0 0 9 -4,-1.6 4,-0.7 1,-0.2 -2,-0.2 0.912 104.8 49.6 -50.4 -62.0 230.8 261.5 56.5 131 169 A A H >X S+ 0 0 42 -4,-2.2 4,-2.8 2,-0.2 3,-1.0 0.819 111.5 51.0 -55.1 -31.5 227.1 260.8 57.0 132 170 A R H 3>>S+ 0 0 158 -4,-0.3 4,-1.7 1,-0.3 5,-0.8 0.979 114.2 43.1 -62.7 -55.3 226.4 262.1 53.5 133 171 A V H 3<5S+ 0 0 47 -4,-2.2 -1,-0.3 2,-0.2 -2,-0.2 0.409 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